Vitas-M small molecule compound
4-(9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridin-12-yl)-2-ethoxyphenyl butanoate
Catalog ID
STK778330
SMILES CCCC(=O)Oc1ccc(cc1OCC)C1C2=C(Nc3c1c1ccccc1cc3)CC(CC2=O)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H33NO4 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO4/c1-5-9-27(34)36-25-15-13-20(16-26(25)35-6-2)28-29-21-11-8-7-10-19(21)12-14-22(29)32-23-17-31(3,4)18-24(33)30(23)28/h7-8,10-16,28,32H,5-6,9,17-18H2,1-4H3InChIKey
MJMSWWMSKHLBBM-UHFFFAOYSA-NSynonyms
(4(99dimethyl11oxo781012tetrahydrobenzo(a)acridin12yl)2ethoxyphenyl)butanoate
4(99dimethyl11oxo789101112hexahydrobenzo(a)acridin12yl)2ethoxyphenylbutanoate
CCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C5=CC=CC=C5C=C4)OCC
InChI=1SC31H33NO4c15927(34)3625151320(1626(25)3562)28292111871019(21)121422(29)32231731(34)1824(33)30(23)28h7810162832H5691718H214H3
MFCD05856416
ZINC000012419240
ZINC000012419243
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